2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)ethanoate Openeye Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate CAS Name: 2-(2,4,6-trimethyl-1-pyridin-1-iumyl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester IUPAC Name: 2-(4-sulfamoylphenyl)ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetic acid 2-(4-sulfamoylphenyl)ethyl ester Formula: C18H23N2O4S+ MolecularWeight: 363.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CC(=O)OCCC2=CC=C(C=C2)S(=O)(=O)N)C

InChI

InChI=1S/C18H23N2O4S/c1-13-10-14(2)20(15(3)11-13)12-18(21)24-9-8-16-4-6-17(7-5-16)25(19,22)23/h4-7,10-11H,8-9,12H2,1-3H3,(H2,19,22,23)/q+1